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Summary Geometry Related PDB entries

FIA

Summary

Name:	2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hydroxyacetamide
Formula:	C18 H14 F N5 O2 S
Formal charge:	0
Formula weight:	383.399 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-hydroxyacetamide
OpenEye OEToolkits	2.0.6	2-[[4-(4-fluorophenyl)-5-(1~{H}-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-~{N}-oxidanyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=O)(CSc3nnc(c2c1c(cccc1)nc2)n3c4ccc(cc4)F)NO
InChI	InChI	1.03	InChI=1S/C18H14FN5O2S/c19-11-5-7-12(8-6-11)24-17(21-22-18(24)27-10-16(25)23-26)14-9-20-15-4-2-1-3-13(14)15/h1-9,20,26H,10H2,(H,23,25)
InChIKey	InChI	1.03	MERURASHTKLQBC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)CSc1nnc(n1c2ccc(F)cc2)c3c[nH]c4ccccc34
SMILES	CACTVS	3.385	ONC(=O)CSc1nnc(n1c2ccc(F)cc2)c3c[nH]c4ccccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(c[nH]2)c3nnc(n3c4ccc(cc4)F)SCC(=O)NO
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(c[nH]2)c3nnc(n3c4ccc(cc4)F)SCC(=O)NO

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